Crystallography Open Database

Information card for entry 1519865

1519864 << 1519865 >> 1519866

Preview

Coordinates	1519865.cif

Structure parameters

Formula	C13 H21 N O2 Si
Calculated formula	C13 H21 N O2 Si
SMILES	C[Si](C)(C)O[C@H](C(=O)N(C)C)c1ccccc1
Title of publication	C13H21NO2Si
Authors of publication	Taylor, P. G.; Male, Louise; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2007
Pages of publication	331
a	7.2319 ± 0.0001 Å
b	11.072 ± 0.0003 Å
c	18.1646 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1454.47 ± 0.06 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0492
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1094
Weighted residual factors for all reflections included in the refinement	0.1123
Goodness-of-fit parameter for all reflections included in the refinement	1.261
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1519865.cif
137194	2015-05-22	cif/ Adding structures of 1519865 via cif-deposit CGI script.	1519865.cif